2,2-difluorodecanal

C10H18F2O — CID 14644932

IUPAC2,2-difluorodecanal
SMILESCCCCCCCCC(F)(F)C=O
InChIInChI=1S/C10H18F2O/c1-2-3-4-5-6-7-8-10(11,12)9-13/h9H,2-8H2,1H3
InChIKeyIXLNXVQUZACYQP-UHFFFAOYSA-N
MW192.25 g/mol
LogP3.57
Rot. Bonds8

About 2,2-difluorodecanal

2,2-difluorodecanal (PubChem CID 14644932) has the molecular formula C10H18F2O and a molecular weight of 192.25 g/mol. Its IUPAC name is 2,2-difluorodecanal.

Molecular Properties

Compound Name2,2-difluorodecanal
PubChem CID14644932
Molecular FormulaC10H18F2O
Molecular Weight192.25 g/mol
Exact Mass192.13
IUPAC Name2,2-difluorodecanal
SMILESCCCCCCCCC(F)(F)C=O
InChIInChI=1S/C10H18F2O/c1-2-3-4-5-6-7-8-10(11,12)9-13/h9H,2-8H2,1H3
InChIKeyIXLNXVQUZACYQP-UHFFFAOYSA-N
XLogP3.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorotridecanal
CID 11015174
6,6-difluorododecanal
CID 143801183
1,1,1-trifluorohexadecane
CID 15685316
2-hydroxy-2-methylundecanal
CID 66038378
(2R)-2-amino-2-methylnonanal
CID 145052924
2-amino-2-methylundecanal
CID 175716419
2-methyl-2-sulfanyldecanal
CID 154228508
2,2-dimethoxyheptadecanal
CID 142766531
2-bromo-2-ethyldodecanal
CID 11623442
9-fluoropentacosan-9-ol
CID 139794548

Frequently Asked Questions

What is the IUPAC name of 2,2-difluorodecanal?
The IUPAC name of 2,2-difluorodecanal (CID 14644932) is 2,2-difluorodecanal.
What is the SMILES notation for 2,2-difluorodecanal?
The canonical SMILES for 2,2-difluorodecanal is CCCCCCCCC(F)(F)C=O.
What is the InChIKey of 2,2-difluorodecanal?
The InChIKey is IXLNXVQUZACYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2O/c1-2-3-4-5-6-7-8-10(11,12)9-13/h9H,2-8H2,1H3.
What are the key properties of 2,2-difluorodecanal?
2,2-difluorodecanal has a molecular weight of 192.25 g/mol, XLogP of 3.57, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorodecanal is sourced from PubChem (CID 14644932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).